2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile
TL;DR: 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile (CAS 1023010-97-0) is a chemical compound with molecular formula C22H22N4O5 and molecular weight 422.15903 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-imino-12-(3,4,5-trimethoxyphenyl)-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile
Also Known As: 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile, 2-imino-10-(3,4,5-trimethoxyphenyl)tetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile
Technical Specifications
| Molecular Formula | C22H22N4O5 |
| Molecular Weight | 422.15903 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.15903 Da |
| Heavy Atoms | 31 |
| Complexity | 881.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C3(C(=N)OC4(O2)CCCCC4C3(C#N)C#N)C#N |
| InChIKey | JFKOSSLZVNLEAR-UHFFFAOYSA-N |
Chemical Property Profile of 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile
Property Insights of 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile. The TPSA of 141.0 Ų indicates high polarity, suggesting 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile?
The CAS number of 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile is 1023010-97-0.
What is the molecular formula of 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile?
The molecular formula of 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile is C22H22N4O5.
What is the molecular weight of 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile?
The molecular weight of 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile is 422.15903 g/mol.
Where can I buy 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile?
You can request a quote for 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.